2,4-dimethyl-6-oxo-4-phenylhept-2-enamide

C15H19NO2 — CID 174987018

IUPAC2,4-dimethyl-6-oxo-4-phenylhept-2-enamide
SMILESCC(=O)CC(C)(C=C(C)C(N)=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(14(16)18)9-15(3,10-12(2)17)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H2,16,18)
InChIKeyHUXNORMJUXYOLX-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.36
Rot. Bonds5

About 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide

2,4-dimethyl-6-oxo-4-phenylhept-2-enamide (PubChem CID 174987018) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-4-phenylhept-2-enamide
PubChem CID174987018
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2,4-dimethyl-6-oxo-4-phenylhept-2-enamide
SMILESCC(=O)CC(C)(C=C(C)C(N)=O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-11(14(16)18)9-15(3,10-12(2)17)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H2,16,18)
InChIKeyHUXNORMJUXYOLX-UHFFFAOYSA-N
XLogP2.36
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2,4,4-trimethyl-6-oxohept-2-enamide
CID 88789893
3-oxo-1,1-diphenylbutan-1-olate
CID 101443170
4-amino-4-methylpentan-2-one;benzoic acid
CID 174476286
acetic acid;2-methyl-2,3-diphenylpropanal
CID 174946322
3-amino-3-phenylpentane-2,4-dione
CID 70119036
methyl 3-methyl-4-oxo-3-phenylbutanoate
CID 131854689
tert-butyl 2-methyl-4,4,4-triphenylbut-2-enoate
CID 174508646
3-(2,3,4,5,6-pentafluorophenyl)-3-phenylbutanamide
CID 57178695
ethyl 2-acetyl-4-oxo-2-phenylpentanoate
CID 68562528
3,3-diphenylpentanediamide
CID 141227643
2-(aminomethyl)-3-methyl-3-phenylbutanamide
CID 139627038
1,1-diphenylethylbenzene;prop-2-enamide
CID 174910563

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide?
The IUPAC name of 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide (CID 174987018) is 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide is CC(=O)CC(C)(C=C(C)C(N)=O)c1ccccc1.
What is the InChIKey of 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide?
The InChIKey is HUXNORMJUXYOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11(14(16)18)9-15(3,10-12(2)17)13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H2,16,18).
What are the key properties of 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide?
2,4-dimethyl-6-oxo-4-phenylhept-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-4-phenylhept-2-enamide is sourced from PubChem (CID 174987018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).